hydroxy-oxo-prop-2-enylsulfanyloxyphosphanium

C3H6O3PS+ — CID 87321315

IUPAChydroxy-oxo-prop-2-enylsulfanyloxyphosphanium
SMILESC=CCSO[P+](=O)O
InChIInChI=1S/C3H5O3PS/c1-2-3-8-6-7(4)5/h2H,1,3H2/p+1
InChIKeyFKCIBNOKPDIUEC-UHFFFAOYSA-O
MW153.12 g/mol
LogP1.49
Rot. Bonds4

About hydroxy-oxo-prop-2-enylsulfanyloxyphosphanium

hydroxy-oxo-prop-2-enylsulfanyloxyphosphanium (PubChem CID 87321315) has the molecular formula C3H6O3PS+ and a molecular weight of 153.12 g/mol. Its IUPAC name is hydroxy-oxo-prop-2-enylsulfanyloxyphosphanium.

Molecular Properties

Compound Namehydroxy-oxo-prop-2-enylsulfanyloxyphosphanium
PubChem CID87321315
Molecular FormulaC3H6O3PS+
Molecular Weight153.12 g/mol
Exact Mass152.98
IUPAC Namehydroxy-oxo-prop-2-enylsulfanyloxyphosphanium
SMILESC=CCSO[P+](=O)O
InChIInChI=1S/C3H5O3PS/c1-2-3-8-6-7(4)5/h2H,1,3H2/p+1
InChIKeyFKCIBNOKPDIUEC-UHFFFAOYSA-O
XLogP1.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.12
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-prop-2-enylsulfanyloxyphosphanium?
The IUPAC name of hydroxy-oxo-prop-2-enylsulfanyloxyphosphanium (CID 87321315) is hydroxy-oxo-prop-2-enylsulfanyloxyphosphanium.
What is the SMILES notation for hydroxy-oxo-prop-2-enylsulfanyloxyphosphanium?
The canonical SMILES for hydroxy-oxo-prop-2-enylsulfanyloxyphosphanium is C=CCSO[P+](=O)O.
What is the InChIKey of hydroxy-oxo-prop-2-enylsulfanyloxyphosphanium?
The InChIKey is FKCIBNOKPDIUEC-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H5O3PS/c1-2-3-8-6-7(4)5/h2H,1,3H2/p+1.
What are the key properties of hydroxy-oxo-prop-2-enylsulfanyloxyphosphanium?
hydroxy-oxo-prop-2-enylsulfanyloxyphosphanium has a molecular weight of 153.12 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-prop-2-enylsulfanyloxyphosphanium is sourced from PubChem (CID 87321315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).